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

Systemtic Name: 2-(ethylamino)-6-(1-methylindol-3-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one Openeye Name: 2-(ethylamino)-6-(1-methylindol-3-yl)-8-(2-thienylmethyl)pteridin-7-one CAS Name: 2-(ethylamino)-6-(1-methyl-3-indolyl)-8-(thiophen-2-ylmethyl)-7-pteridinone IUPAC Name: 2-(ethylamino)-6-(1-methylindol-3-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one Traditional Name: 2-(ethylamino)-6-(1-methylindol-3-yl)-8-(2-thenyl)pteridin-7-one Formula: C22H20N6OS MolecularWeight: 416.4988

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CN(C4=CC=CC=C43)C)CC5=CC=CS5

Isomeric SMILES

CCNC1=NC=C2C(=N1)N(C(=O)C(=N2)C3=CN(C4=CC=CC=C43)C)CC5=CC=CS5

InChI

InChI=1S/C22H20N6OS/c1-3-23-22-24-11-17-20(26-22)28(12-14-7-6-10-30-14)21(29)19(25-17)16-13-27(2)18-9-5-4-8-15(16)18/h4-11,13H,3,12H2,1-2H3,(H,23,24,26)