N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-imidazol-1-yl-N-(2-methylpropyl)benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-imidazol-1-yl-N-(2-methylpropyl)benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-imidazol-1-yl-N-isobutyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-(1-imidazolyl)-N-(2-methylpropyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-imidazol-1-yl-N-(2-methylpropyl)benzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-imidazol-1-yl-N-isobutyl-benzamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(C=C2)N3C=CN=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(C=C2)N3C=CN=C3)N

InChI

InChI=1S/C22H28N6O3/c1-4-5-11-27-19(23)18(20(29)25-22(27)31)28(13-15(2)3)21(30)16-6-8-17(9-7-16)26-12-10-24-14-26/h6-10,12,14-15H,4-5,11,13,23H2,1-3H3,(H,25,29,31)