4-(azepan-1-yl)-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[(E)-3-(4-dimethylaminophenyl)allyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N-(3-pyrrolidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Traditional Name: [4-[(E)-3-[4-(azepan-1-yl)-2-(pyrrolidin-3-ylamino)-4H-pyrimidin-3-yl]prop-1-enyl]phenyl]-dimethyl-amine Formula: C25H38N6 MolecularWeight: 422.60942

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CCN2C(C=CN=C2NC3CCNC3)N4CCCCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/CN2C(C=CN=C2NC3CCNC3)N4CCCCCC4

InChI

InChI=1S/C25H38N6/c1-29(2)23-11-9-21(10-12-23)8-7-19-31-24(30-17-5-3-4-6-18-30)14-16-27-25(31)28-22-13-15-26-20-22/h7-12,14,16,22,24,26H,3-6,13,15,17-20H2,1-2H3,(H,27,28)/b8-7+