0RU
Summary
Name: | 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one |
Formula: | C14 H12 N4 O S |
Formal charge: | 0 |
Formula weight: | 284.336 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one |
OpenEye OEToolkits | 1.7.6 | 8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2N=C(Nc1c(cccc12)C)CSc3ncccn3 |
InChI | InChI | 1.03 | InChI=1S/C14H12N4OS/c1-9-4-2-5-10-12(9)17-11(18-13(10)19)8-20-14-15-6-3-7-16-14/h2-7H,8H2,1H3,(H,17,18,19) |
InChIKey | InChI | 1.03 | ANAUZAZPUGQDNM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1cccc2C(=O)N=C(CSc3ncccn3)Nc12 |
SMILES | CACTVS | 3.370 | Cc1cccc2C(=O)N=C(CSc3ncccn3)Nc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1NC(=NC2=O)CSc3ncccn3 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cccc2c1NC(=NC2=O)CSc3ncccn3 |