4-(cyclopentylamino)-2-(3-imidazol-1-ylpropylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(cyclopentylamino)-2-(3-imidazol-1-ylpropylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: N-benzyl-4-(cyclopentylamino)-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide CAS Name: 4-(cyclopentylamino)-2-[3-(1-imidazolyl)propylamino]-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: N-benzyl-4-(cyclopentylamino)-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide Traditional Name: N-benzyl-4-(cyclopentylamino)-2-(3-imidazol-1-ylpropylamino)pyrimidine-5-carboxamide Formula: C23H29N7O MolecularWeight: 419.52266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN4C=CN=C4

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN4C=CN=C4

InChI

InChI=1S/C23H29N7O/c31-22(26-15-18-7-2-1-3-8-18)20-16-27-23(25-11-6-13-30-14-12-24-17-30)29-21(20)28-19-9-4-5-10-19/h1-3,7-8,12,14,16-17,19H,4-6,9-11,13,15H2,(H,26,31)(H2,25,27,28,29)