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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(3-methoxypropyl)-3-pyrrol-1-yl-benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-(3-methoxypropyl)-3-pyrrol-1-yl-benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(3-methoxypropyl)-3-(1-pyrrolyl)benzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-3-pyrrol-1-ylbenzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-(3-methoxypropyl)-3-pyrrol-1-yl-benzamide Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

COCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C26H27N5O4/c1-35-16-8-15-30(25(33)20-11-7-12-21(17-20)29-13-5-6-14-29)22-23(27)31(26(34)28-24(22)32)18-19-9-3-2-4-10-19/h2-7,9-14,17H,8,15-16,18,27H2,1H3,(H,28,32,34)