456
Summary
Name: | N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide |
Formula: | C13 H15 N5 O2 S |
Formal charge: | 0 |
Formula weight: | 305.356 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide |
OpenEye OEToolkits | 1.9.2 | N-[5-(6-methoxypyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1nc3c(s1)CN(c2nc(OC)cnc2)CC3)C |
InChI | InChI | 1.03 | InChI=1S/C13H15N5O2S/c1-8(19)15-13-16-9-3-4-18(7-10(9)21-13)11-5-14-6-12(17-11)20-2/h5-6H,3-4,7H2,1-2H3,(H,15,16,19) |
InChIKey | InChI | 1.03 | YGHXBCAMJWBJDS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cncc(n1)N2CCc3nc(NC(C)=O)sc3C2 |
SMILES | CACTVS | 3.385 | COc1cncc(n1)N2CCc3nc(NC(C)=O)sc3C2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1nc2c(s1)CN(CC2)c3cncc(n3)OC |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)Nc1nc2c(s1)CN(CC2)c3cncc(n3)OC |