N-[4-(1,3-benzothiazol-5-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethenesulfonamide

Systemtic Name: N-[4-(1,3-benzothiazol-5-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethenesulfonamide Openeye Name: N-[4-(1,3-benzothiazol-5-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethenesulfonamide CAS Name: N-[4-(1,3-benzothiazol-5-ylamino)-6-pyrido[3,4-d]pyrimidinyl]ethenesulfonamide IUPAC Name: N-[4-(1,3-benzothiazol-5-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethenesulfonamide Traditional Name: N-[4-(1,3-benzothiazol-5-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethenesulfonamide Formula: C16H12N6O2S2 MolecularWeight: 384.43548

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

C=CS(=O)(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C16H12N6O2S2/c1-2-26(23,24)22-15-6-11-13(7-17-15)18-8-19-16(11)21-10-3-4-14-12(5-10)20-9-25-14/h2-9H,1H2,(H,17,22)(H,18,19,21)