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

Systemtic Name: (5S)-4,7-bis(azanyl)-2-prop-2-ynylsulfanyl-5-pyridin-3-yl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile Openeye Name: (5S)-4,7-diamino-2-prop-2-ynylsulfanyl-5-(3-pyridyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile CAS Name: (5S)-4,7-diamino-2-(prop-2-ynylthio)-5-(3-pyridinyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile IUPAC Name: (5S)-4,7-diamino-2-prop-2-ynylsulfanyl-5-pyridin-3-yl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile Traditional Name: (5S)-4,7-diamino-2-(propargylthio)-5-(3-pyridyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile Formula: C16H12N6OS MolecularWeight: 336.37108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N6OS/c1-2-6-24-16-21-13(18)12-11(9-4-3-5-20-8-9)10(7-17)14(19)23-15(12)22-16/h1,3-5,8,11H,6,19H2,(H2,18,21,22)/t11-/m0/s1