4-(azepan-1-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[(3S)-1-benzylpyrrolidin-3-yl]amine Formula: C21H29N5 MolecularWeight: 351.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N[C@H]3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H29N5/c1-2-7-14-26(13-6-1)20-10-12-22-21(24-20)23-19-11-15-25(17-19)16-18-8-4-3-5-9-18/h3-5,8-10,12,19H,1-2,6-7,11,13-17H2,(H,22,23,24)/t19-/m0/s1