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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(3-methylbutyl)-4-pyrazol-1-yl-benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-4-pyrazol-1-yl-benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(3-methylbutyl)-4-(1-pyrazolyl)benzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-pyrazol-1-ylbenzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-4-pyrazol-1-yl-benzamide Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(C)CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C26H28N6O3/c1-18(2)13-16-30(25(34)20-9-11-21(12-10-20)32-15-6-14-28-32)22-23(27)31(26(35)29-24(22)33)17-19-7-4-3-5-8-19/h3-12,14-15,18H,13,16-17,27H2,1-2H3,(H,29,33,35)