6-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one

Systemtic Name: 6-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 6-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)-8-(2-thienylmethyl)pteridin-7-one CAS Name: 6-(1-methyl-3-indolyl)-2-(4-methyl-1-piperazinyl)-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 6-(1-methylindol-3-yl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 6-(1-methylindol-3-yl)-2-(4-methylpiperazino)-8-(2-thenyl)pteridin-7-one Formula: C25H25N7OS MolecularWeight: 471.5773

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CN(C5=CC=CC=C54)C)CC6=CC=CS6

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CN(C5=CC=CC=C54)C)CC6=CC=CS6

InChI

InChI=1S/C25H25N7OS/c1-29-9-11-31(12-10-29)25-26-14-20-23(28-25)32(15-17-6-5-13-34-17)24(33)22(27-20)19-16-30(2)21-8-4-3-7-18(19)21/h3-8,13-14,16H,9-12,15H2,1-2H3