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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(butan-2-ylamino)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylcyclopentyl)-2-(sec-butylamino)pyrimidine-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(butan-2-ylamino)-4-(1-phenylcyclopentyl)-5-pyrimidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(butan-2-ylamino)-4-(1-phenylcyclopentyl)pyrimidine-5-carboxamide Traditional Name: 4-(1-phenylcyclopentyl)-N-piperonyl-2-(sec-butylamino)pyrimidine-5-carboxamide Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=C(C(=N1)C2(CCCC2)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(C)NC1=NC=C(C(=N1)C2(CCCC2)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H32N4O3/c1-3-19(2)31-27-30-17-22(26(33)29-16-20-11-12-23-24(15-20)35-18-34-23)25(32-27)28(13-7-8-14-28)21-9-5-4-6-10-21/h4-6,9-12,15,17,19H,3,7-8,13-14,16,18H2,1-2H3,(H,29,33)(H,30,31,32)