1-[4-azanyl-8-(2-azanylethylsulfanyl)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one

Systemtic Name: 1-[4-azanyl-8-(2-azanylethylsulfanyl)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one Openeye Name: 1-[4-amino-8-(2-aminoethylsulfanyl)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one CAS Name: 1-[4-amino-8-(2-aminoethylthio)-7-quinazolinyl]-3,6,6-trimethyl-5,7-dihydroindol-4-one IUPAC Name: 1-[4-amino-8-(2-aminoethylsulfanyl)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one Traditional Name: 1-[4-amino-8-(2-aminoethylthio)quinazolin-7-yl]-3,6,6-trimethyl-5,7-dihydroindol-4-one Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C(=O)CC(C2)(C)C)C3=C(C4=C(C=C3)C(=NC=N4)N)SCCN

Isomeric SMILES

CC1=CN(C2=C1C(=O)CC(C2)(C)C)C3=C(C4=C(C=C3)C(=NC=N4)N)SCCN

InChI

InChI=1S/C21H25N5OS/c1-12-10-26(15-8-21(2,3)9-16(27)17(12)15)14-5-4-13-18(19(14)28-7-6-22)24-11-25-20(13)23/h4-5,10-11H,6-9,22H2,1-3H3,(H2,23,24,25)