1-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]amino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]amino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]thiourea CAS Name: 1-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)amino]thiourea Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O

Isomeric SMILES

C=CCNC(=S)NNC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O

InChI

InChI=1S/C15H17N5O2S/c1-2-8-16-15(23)20-19-14-17-12(21)11(13(22)18-14)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,16,20,23)(H3,17,18,19,21,22)