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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-4-(3-methylpyrazol-1-yl)benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-4-(3-methylpyrazol-1-yl)benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-4-(3-methyl-1-pyrazolyl)benzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-(3-methylpyrazol-1-yl)benzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-4-(3-methylpyrazol-1-yl)benzamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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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)N3C=CC(=N3)C

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC=C(C=C2)N3C=CC(=N3)C

InChI

InChI=1S/C22H28N6O3/c1-4-6-13-26(18-19(23)27(12-5-2)22(31)24-20(18)29)21(30)16-7-9-17(10-8-16)28-14-11-15(3)25-28/h7-11,14H,4-6,12-13,23H2,1-3H3,(H,24,29,31)