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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C22H31N5O/c1-28-20-8-6-7-18(15-20)16-26-14-10-19(17-26)24-22-23-11-9-21(25-22)27-12-4-2-3-5-13-27/h6-9,11,15,19H,2-5,10,12-14,16-17H2,1H3,(H,23,24,25)