2-(3-azanylpropylamino)-4-(cyclohexylmethylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 2-(3-azanylpropylamino)-4-(cyclohexylmethylamino)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: 2-(3-aminopropylamino)-N-benzyl-4-(cyclohexylmethylamino)pyrimidine-5-carboxamide CAS Name: 2-(3-aminopropylamino)-4-(cyclohexylmethylamino)-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(3-aminopropylamino)-N-benzyl-4-(cyclohexylmethylamino)pyrimidine-5-carboxamide Traditional Name: 2-(3-aminopropylamino)-N-benzyl-4-(cyclohexylmethylamino)pyrimidine-5-carboxamide Formula: C22H32N6O MolecularWeight: 396.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN

Isomeric SMILES

C1CCC(CC1)CNC2=NC(=NC=C2C(=O)NCC3=CC=CC=C3)NCCCN

InChI

InChI=1S/C22H32N6O/c23-12-7-13-24-22-27-16-19(21(29)26-15-18-10-5-2-6-11-18)20(28-22)25-14-17-8-3-1-4-9-17/h2,5-6,10-11,16-17H,1,3-4,7-9,12-15,23H2,(H,26,29)(H2,24,25,27,28)