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

Systemtic Name: 4-(azepan-1-yl)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[(E)-3-(2-furyl)allyl]-N-(3-piperidyl)-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[(E)-3-(2-furanyl)prop-2-enyl]-N-(3-piperidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-N-piperidin-3-yl-4H-pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)-3-[(E)-3-(2-furyl)allyl]-4H-pyrimidin-2-yl]-(3-piperidyl)amine Formula: C22H33N5O MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2C=CN=C(N2CC=CC3=CC=CO3)NC4CCCNC4

Isomeric SMILES

C1CCCN(CC1)C2C=CN=C(N2C/C=C/C3=CC=CO3)NC4CCCNC4

InChI

InChI=1S/C22H33N5O/c1-2-4-15-26(14-3-1)21-11-13-24-22(25-19-8-5-12-23-18-19)27(21)16-6-9-20-10-7-17-28-20/h6-7,9-11,13,17,19,21,23H,1-5,8,12,14-16,18H2,(H,24,25)/b9-6+