[4-(2-azanyl-6-phenethyl-pyrimidin-4-yl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone

Systemtic Name: [4-(2-azanyl-6-phenethyl-pyrimidin-4-yl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone Openeye Name: [4-(2-amino-6-phenethyl-pyrimidin-4-yl)-1-piperidyl]-(1,3-benzodioxol-5-yl)methanone CAS Name: [4-(2-amino-6-phenethyl-4-pyrimidinyl)-1-piperidinyl]-(1,3-benzodioxol-5-yl)methanone IUPAC Name: [4-(2-amino-6-phenethylpyrimidin-4-yl)piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone Traditional Name: [4-(2-amino-6-phenethyl-pyrimidin-4-yl)piperidino]-(1,3-benzodioxol-5-yl)methanone Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=NC(=N2)N)CCC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C2=CC(=NC(=N2)N)CCC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N4O3/c26-25-27-20(8-6-17-4-2-1-3-5-17)15-21(28-25)18-10-12-29(13-11-18)24(30)19-7-9-22-23(14-19)32-16-31-22/h1-5,7,9,14-15,18H,6,8,10-13,16H2,(H2,26,27,28)