2-[2-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C23H28N7O+ MolecularWeight: 418.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C23H27N7O/c1-16(2)22-25-17(3)14-20(27-22)29-12-10-28(11-13-29)15-21-26-19-7-5-4-6-18(19)23(31)30(21)9-8-24/h4-7,14,16H,9-13,15H2,1-3H3/p+1