2-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methyl]phenol

Systemtic Name: 2-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methyl]phenol Openeye Name: 2-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methyl]phenol CAS Name: 2-[[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-pyrrolidinyl]methyl]phenol IUPAC Name: 2-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]methyl]phenol Traditional Name: 2-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidino]methyl]phenol Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC=CC=C4O

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC=CC=C4O

InChI

InChI=1S/C21H29N5O/c27-19-8-4-3-7-17(19)15-25-14-10-18(16-25)23-21-22-11-9-20(24-21)26-12-5-1-2-6-13-26/h3-4,7-9,11,18,27H,1-2,5-6,10,12-16H2,(H,22,23,24)