(5S)-4,7-bis(azanyl)-5-phenyl-2-prop-2-ynylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: (5S)-4,7-bis(azanyl)-5-phenyl-2-prop-2-ynylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile Openeye Name: (5S)-4,7-diamino-5-phenyl-2-prop-2-ynylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile CAS Name: (5S)-4,7-diamino-5-phenyl-2-(prop-2-ynylthio)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile IUPAC Name: (5S)-4,7-diamino-5-phenyl-2-prop-2-ynylsulfanyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile Traditional Name: (5S)-4,7-diamino-5-phenyl-2-(propargylthio)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile Formula: C17H13N5OS MolecularWeight: 335.38302

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=C2C(C(=C(OC2=N1)N)C#N)C3=CC=CC=C3)N

Isomeric SMILES

C#CCSC1=NC(=C2[C@H](C(=C(OC2=N1)N)C#N)C3=CC=CC=C3)N

InChI

InChI=1S/C17H13N5OS/c1-2-8-24-17-21-14(19)13-12(10-6-4-3-5-7-10)11(9-18)15(20)23-16(13)22-17/h1,3-7,12H,8,20H2,(H2,19,21,22)/t12-/m0/s1