8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)-2-piperazin-1-yl-pteridin-7-one

Systemtic Name: 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)-2-piperazin-1-yl-pteridin-7-one Openeye Name: 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)-2-piperazin-1-yl-pteridin-7-one CAS Name: 8-[(3-methoxyphenyl)methyl]-6-(1-methyl-3-indolyl)-2-(1-piperazinyl)-7-pteridinone IUPAC Name: 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)-2-piperazin-1-ylpteridin-7-one Traditional Name: 8-m-anisyl-6-(1-methylindol-3-yl)-2-piperazino-pteridin-7-one Formula: C27H27N7O2 MolecularWeight: 481.54898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CC5=CC(=CC=C5)OC)N6CCNCC6

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NC4=CN=C(N=C4N(C3=O)CC5=CC(=CC=C5)OC)N6CCNCC6

InChI

InChI=1S/C27H27N7O2/c1-32-17-21(20-8-3-4-9-23(20)32)24-26(35)34(16-18-6-5-7-19(14-18)36-2)25-22(30-24)15-29-27(31-25)33-12-10-28-11-13-33/h3-9,14-15,17,28H,10-13,16H2,1-2H3