OA3
Summary
Name: | 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one |
Formula: | C10 H13 N3 O |
Formal charge: | 0 |
Formula weight: | 191.23 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one |
OpenEye OEToolkits | 1.6.1 | 4-amino-7,7-dimethyl-6,8-dihydroquinazolin-5-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2c1c(ncnc1N)CC(C2)(C)C |
SMILES_CANONICAL | CACTVS | 3.352 | CC1(C)CC(=O)c2c(N)ncnc2C1 |
SMILES | CACTVS | 3.352 | CC1(C)CC(=O)c2c(N)ncnc2C1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1(Cc2c(c(ncn2)N)C(=O)C1)C |
SMILES | OpenEye OEToolkits | 1.6.1 | CC1(Cc2c(c(ncn2)N)C(=O)C1)C |
InChI | InChI | 1.03 | InChI=1S/C10H13N3O/c1-10(2)3-6-8(7(14)4-10)9(11)13-5-12-6/h5H,3-4H2,1-2H3,(H2,11,12,13) |
InChIKey | InChI | 1.03 | DYPFWRCGECJCBK-UHFFFAOYSA-N |