N-[(2R,3S)-2-(aminomethyl)-1-cyclohexyl-pyrrolidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine

Systemtic Name: N-[(2R,3S)-2-(aminomethyl)-1-cyclohexyl-pyrrolidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine Openeye Name: N-[(2R,3S)-2-(aminomethyl)-1-cyclohexyl-pyrrolidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine CAS Name: N-[(2R,3S)-2-(aminomethyl)-1-cyclohexyl-3-pyrrolidinyl]-4-(1-azepanyl)-2-pyrimidinamine IUPAC Name: N-[(2R,3S)-2-(aminomethyl)-1-cyclohexylpyrrolidin-3-yl]-4-(azepan-1-yl)pyrimidin-2-amine Traditional Name: [(2R,3S)-2-(aminomethyl)-1-cyclohexyl-pyrrolidin-3-yl]-[4-(azepan-1-yl)pyrimidin-2-yl]amine Formula: C21H36N6 MolecularWeight: 372.55074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3CN)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N[C@H]3CCN([C@@H]3CN)C4CCCCC4

InChI

InChI=1S/C21H36N6/c22-16-19-18(11-15-27(19)17-8-4-3-5-9-17)24-21-23-12-10-20(25-21)26-13-6-1-2-7-14-26/h10,12,17-19H,1-9,11,13-16,22H2,(H,23,24,25)/t18-,19+/m0/s1