[4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(4-butylphenyl)methanone

Systemtic Name: [4-[2-azanyl-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(4-butylphenyl)methanone Openeye Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(4-butylphenyl)methanone CAS Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-1-piperazinyl]-(4-butylphenyl)methanone IUPAC Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazin-1-yl]-(4-butylphenyl)methanone Traditional Name: [4-[2-amino-6-(3,4-dimethoxyphenyl)pteridin-4-yl]piperazino]-(4-butylphenyl)methanone Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC4=NC=C(N=C43)C5=CC(=C(C=C5)OC)OC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC4=NC=C(N=C43)C5=CC(=C(C=C5)OC)OC)N

InChI

InChI=1S/C29H33N7O3/c1-4-5-6-19-7-9-20(10-8-19)28(37)36-15-13-35(14-16-36)27-25-26(33-29(30)34-27)31-18-22(32-25)21-11-12-23(38-2)24(17-21)39-3/h7-12,17-18H,4-6,13-16H2,1-3H3,(H2,30,31,33,34)