3-methyl-N-[2-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazine-1-carboximidamide

Systemtic Name: 3-methyl-N-[2-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazine-1-carboximidamide Openeye Name: N-[3-allyl-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-quinazolin-7-yl]-3-methyl-N'-(2,6,6-trimethylnorpinan-3-yl)piperazine-1-carboxamidine CAS Name: 3-methyl-N-[2-[(4-methyl-1-piperazinyl)methyl]-4-oxo-3-prop-2-enyl-7-quinazolinyl]-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1-piperazinecarboximidamide IUPAC Name: 3-methyl-N-[2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-3-prop-2-enylquinazolin-7-yl]-N'-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazine-1-carboximidamide Traditional Name: N-[3-allyl-4-keto-2-[(4-methylpiperazino)methyl]quinazolin-7-yl]-3-methyl-N'-(2,6,6-trimethylnorpinan-3-yl)piperazine-1-carboxamidine Formula: C33H50N8O MolecularWeight: 574.8031

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=NC2CC3CC(C2C)C3(C)C)NC4=CC5=C(C=C4)C(=O)N(C(=N5)CN6CCN(CC6)C)CC=C

Isomeric SMILES

CC1CN(CCN1)C(=NC2CC3CC(C2C)C3(C)C)NC4=CC5=C(C=C4)C(=O)N(C(=N5)CN6CCN(CC6)C)CC=C

InChI

InChI=1S/C33H50N8O/c1-7-11-41-30(21-39-15-13-38(6)14-16-39)36-29-19-25(8-9-26(29)31(41)42)35-32(40-12-10-34-22(2)20-40)37-28-18-24-17-27(23(28)3)33(24,4)5/h7-9,19,22-24,27-28,34H,1,10-18,20-21H2,2-6H3,(H,35,37)