1-[(E)-(4-oxidanylidene-2-pyridin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-(4-oxidanylidene-2-pyridin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[4-oxo-2-(2-pyridylsulfanyl)pyrido[1,2-a]pyrimidin-3-yl]methyleneamino]thiourea CAS Name: 1-[(E)-[4-oxo-2-(2-pyridinylthio)-3-pyrido[1,2-a]pyrimidinyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-(4-oxo-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[4-keto-2-(2-pyridylthio)pyrido[1,2-a]pyrimidin-3-yl]methyleneamino]thiourea Formula: C18H16N6OS2 MolecularWeight: 396.48924

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NN=CC1=C(N=C2C=CC=CN2C1=O)SC3=CC=CC=N3

Isomeric SMILES

C=CCNC(=S)N/N=C/C1=C(N=C2C=CC=CN2C1=O)SC3=CC=CC=N3

InChI

InChI=1S/C18H16N6OS2/c1-2-9-20-18(26)23-21-12-13-16(27-15-8-3-5-10-19-15)22-14-7-4-6-11-24(14)17(13)25/h2-8,10-12H,1,9H2,(H2,20,23,26)/b21-12+