Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

RNV

概要
表記:2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
組成式:C18 H27 N5 O S2
電荷:0
化学式量:393.57 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.012-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
OpenEye OEToolkits2.0.72-[(4-azanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-~{N}-[2-(diethylamino)ethyl]ethanamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCC3)=O)N(CC)CC
InChIInChI1.03InChI=1S/C18H27N5OS2/c1-3-23(4-2)10-9-20-14(24)11-25-18-21-16(19)15-12-7-5-6-8-13(12)26-17(15)22-18/h3-11H2,1-2H3,(H,20,24)(H2,19,21,22)
InChIKeyInChI1.03IQQWKKVZCVYLKR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(CC)CCNC(=O)CSc1nc(N)c2c3CCCCc3sc2n1
SMILESCACTVS3.385CCN(CC)CCNC(=O)CSc1nc(N)c2c3CCCCc3sc2n1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N
SMILESOpenEye OEToolkits2.0.7CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N

224931

件を2024-09-11に公開中

PDB statisticsPDBj update infoContact PDBjnumon