2-[2-ethoxy-5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one

Systemtic Name: 2-[2-ethoxy-5-(4-propan-2-ylpiperazin-1-yl)sulfonyl-phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one Openeye Name: 2-[2-ethoxy-5-(4-isopropylpiperazin-1-yl)sulfonyl-phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one CAS Name: 2-[2-ethoxy-5-[(4-propan-2-yl-1-piperazinyl)sulfonyl]phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one IUPAC Name: 2-[2-ethoxy-5-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one Traditional Name: 2-[2-ethoxy-5-(4-isopropylpiperazino)sulfonyl-phenyl]-9-methyl-1H-purino[9,8-a]pyridin-4-one Formula: C25H30N6O4S MolecularWeight: 510.6085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C)C3=NC(=O)C4=C(N3)N5C(=CC=CC5=N4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C)C3=NC(=O)C4=C(N3)N5C(=CC=CC5=N4)C

InChI

InChI=1S/C25H30N6O4S/c1-5-35-20-10-9-18(36(33,34)30-13-11-29(12-14-30)16(2)3)15-19(20)23-27-24-22(25(32)28-23)26-21-8-6-7-17(4)31(21)24/h6-10,15-16H,5,11-14H2,1-4H3,(H,27,28,32)