4-[bis(azanyl)methylidene]-2-[[(6-methyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-yl)amino]methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[bis(azanyl)methylidene]-2-[[(6-methyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-yl)amino]methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(diaminomethylene)-2-[[[6-methyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(diaminomethylidene)-2-[[[6-methyl-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinyl]amino]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(diaminomethylidene)-2-[[[6-methyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(diaminomethylene)-2-[[[6-methyl-7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]methyl]cyclohexa-2,5-dien-1-one Formula: C22H24N6O2 MolecularWeight: 404.46496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC=N2)NCC3=CC(=C(N)N)C=CC3=O)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC=N2)NCC3=CC(=C(N)N)C=CC3=O)C(=O)N4CCCC4

InChI

InChI=1S/C22H24N6O2/c1-13-8-17-18(10-16(13)22(30)28-6-2-3-7-28)26-12-27-21(17)25-11-15-9-14(20(23)24)4-5-19(15)29/h4-5,8-10,12H,2-3,6-7,11,23-24H2,1H3,(H,25,26,27)