2-(3-azanylpropylamino)-4-[(3-methylsulfonylphenyl)amino]-6H-pyrido[4,3-d]pyrimidin-5-one

Systemtic Name: 2-(3-azanylpropylamino)-4-[(3-methylsulfonylphenyl)amino]-6H-pyrido[4,3-d]pyrimidin-5-one Openeye Name: 2-(3-aminopropylamino)-4-(3-methylsulfonylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one CAS Name: 2-(3-aminopropylamino)-4-(3-methylsulfonylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one IUPAC Name: 2-(3-aminopropylamino)-4-(3-methylsulfonylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one Traditional Name: 2-(3-aminopropylamino)-4-(3-mesylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC2=NC(=NC3=C2C(=O)NC=C3)NCCCN

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC2=NC(=NC3=C2C(=O)NC=C3)NCCCN

InChI

InChI=1S/C17H20N6O3S/c1-27(25,26)12-5-2-4-11(10-12)21-15-14-13(6-9-19-16(14)24)22-17(23-15)20-8-3-7-18/h2,4-6,9-10H,3,7-8,18H2,1H3,(H,19,24)(H2,20,21,22,23)