N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-4-methyl-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-4-methyl-3-pyrrol-1-yl-benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-4-methyl-3-pyrrol-1-yl-benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-4-methyl-3-(1-pyrrolyl)benzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-methyl-3-pyrrol-1-ylbenzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-4-methyl-3-pyrrol-1-yl-benzamide Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

InChI

InChI=1S/C23H29N5O3/c1-4-6-14-27(19-20(24)28(11-5-2)23(31)25-21(19)29)22(30)17-10-9-16(3)18(15-17)26-12-7-8-13-26/h7-10,12-13,15H,4-6,11,14,24H2,1-3H3,(H,25,29,31)