6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)-N-prop-2-enyl-pyrimidine-5-carbothioamide

Systemtic Name: 6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)-N-prop-2-enyl-pyrimidine-5-carbothioamide Openeye Name: N-allyl-6-amino-1-benzyl-2,4-dioxo-pyrimidine-5-carbothioamide CAS Name: 6-amino-2,4-dioxo-1-(phenylmethyl)-N-prop-2-enyl-5-pyrimidinecarbothioamide IUPAC Name: 6-amino-1-benzyl-2,4-dioxo-N-prop-2-enylpyrimidine-5-carbothioamide Traditional Name: N-allyl-6-amino-1-benzyl-2,4-diketo-pyrimidine-5-carbothioamide Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

Isomeric SMILES

C=CCNC(=S)C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N

InChI

InChI=1S/C15H16N4O2S/c1-2-8-17-14(22)11-12(16)19(15(21)18-13(11)20)9-10-6-4-3-5-7-10/h2-7H,1,8-9,16H2,(H,17,22)(H,18,20,21)