2-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(2-methylpropyl)amino]methyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-(2-methylpropyl)amino]methyl]indolizine-1-carbonitrile Openeye Name: 2-[[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-isobutyl-amino]methyl]indolizine-1-carbonitrile CAS Name: 2-[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-(2-methylpropyl)amino]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]methyl]indolizine-1-carbonitrile Traditional Name: 2-[[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-isobutyl-amino]methyl]indolizine-1-carbonitrile Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CN3C=CC=CC3=C2C#N)CC(C)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CN3C=CC=CC3=C2C#N)CC(C)C)N

InChI

InChI=1S/C22H28N6O2/c1-4-5-10-28-20(24)19(21(29)25-22(28)30)27(12-15(2)3)14-16-13-26-9-7-6-8-18(26)17(16)11-23/h6-9,13,15H,4-5,10,12,14,24H2,1-3H3,(H,25,29,30)