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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(2-methoxyphenyl)methyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-(1-o-anisylpyrrolidin-3-yl)amine Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C22H31N5O/c1-28-20-9-5-4-8-18(20)16-26-15-11-19(17-26)24-22-23-12-10-21(25-22)27-13-6-2-3-7-14-27/h4-5,8-10,12,19H,2-3,6-7,11,13-17H2,1H3,(H,23,24,25)