3PF
Summary
Name: | 3-methyl-3,4-dihydroquinazolin-2(1H)-one |
Formula: | C9 H10 N2 O |
Formal charge: | 0 |
Formula weight: | 162.188 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-methyl-3,4-dihydroquinazolin-2(1H)-one |
OpenEye OEToolkits | 1.7.0 | 3-methyl-1,4-dihydroquinazolin-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2Nc1c(cccc1)CN2C |
SMILES_CANONICAL | CACTVS | 3.370 | CN1Cc2ccccc2NC1=O |
SMILES | CACTVS | 3.370 | CN1Cc2ccccc2NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN1Cc2ccccc2NC1=O |
SMILES | OpenEye OEToolkits | 1.7.0 | CN1Cc2ccccc2NC1=O |
InChI | InChI | 1.03 | InChI=1S/C9H10N2O/c1-11-6-7-4-2-3-5-8(7)10-9(11)12/h2-5H,6H2,1H3,(H,10,12) |
InChIKey | InChI | 1.03 | GINUUQLRYXHAPB-UHFFFAOYSA-N |