N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-4-(1-phenylcyclopentyl)-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylamino)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide Traditional Name: 2-(cyclopropylamino)-4-(1-phenylcyclopentyl)-N-piperonyl-pyrimidine-5-carboxamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C3=NC(=NC=C3C(=O)NCC4=CC5=C(C=C4)OCO5)NC6CC6

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C3=NC(=NC=C3C(=O)NCC4=CC5=C(C=C4)OCO5)NC6CC6

InChI

InChI=1S/C27H28N4O3/c32-25(28-15-18-8-11-22-23(14-18)34-17-33-22)21-16-29-26(30-20-9-10-20)31-24(21)27(12-4-5-13-27)19-6-2-1-3-7-19/h1-3,6-8,11,14,16,20H,4-5,9-10,12-13,15,17H2,(H,28,32)(H,29,30,31)