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

Systemtic Name: 1-[(E)-(4-oxidanylidene-2-phenylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-(4-oxo-2-phenylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methyleneamino]thiourea CAS Name: 1-[(E)-[4-oxo-2-(phenylthio)-3-pyrido[1,2-a]pyrimidinyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[4-keto-2-(phenylthio)pyrido[1,2-a]pyrimidin-3-yl]methyleneamino]thiourea Formula: C19H17N5OS2 MolecularWeight: 395.50118

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NN=CC1=C(N=C2C=CC=CN2C1=O)SC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=S)N/N=C/C1=C(N=C2C=CC=CN2C1=O)SC3=CC=CC=C3

InChI

InChI=1S/C19H17N5OS2/c1-2-11-20-19(26)23-21-13-15-17(27-14-8-4-3-5-9-14)22-16-10-6-7-12-24(16)18(15)25/h2-10,12-13H,1,11H2,(H2,20,23,26)/b21-13+