4-(azepan-1-yl)-N-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-tert-butylphenyl)methyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-tert-butylbenzyl)pyrrolidin-3-yl]amine Formula: C25H37N5 MolecularWeight: 407.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C25H37N5/c1-25(2,3)21-10-8-20(9-11-21)18-29-17-13-22(19-29)27-24-26-14-12-23(28-24)30-15-6-4-5-7-16-30/h8-12,14,22H,4-7,13,15-19H2,1-3H3,(H,26,27,28)