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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-methyl-N-pentyl-3-pyrrol-1-yl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-methyl-N-pentyl-3-pyrrol-1-yl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-methyl-N-pentyl-3-(1-pyrrolyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-pentyl-3-pyrrol-1-ylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-4-methyl-3-pyrrol-1-yl-benzamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

InChI

InChI=1S/C25H33N5O3/c1-4-6-8-16-29(21-22(26)30(15-7-5-2)25(33)27-23(21)31)24(32)19-12-11-18(3)20(17-19)28-13-9-10-14-28/h9-14,17H,4-8,15-16,26H2,1-3H3,(H,27,31,33)