(phenylmethyl) 6-[[6-azanyl-1-methyl-2,4-bis(oxidanylidene)-3-prop-2-ynyl-pyrimidin-5-yl]carbamoyl]naphthalene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-[[6-azanyl-1-methyl-2,4-bis(oxidanylidene)-3-prop-2-ynyl-pyrimidin-5-yl]carbamoyl]naphthalene-2-carboxylate Openeye Name: benzyl 6-[(6-amino-1-methyl-2,4-dioxo-3-prop-2-ynyl-pyrimidin-5-yl)carbamoyl]naphthalene-2-carboxylate CAS Name: 6-[[(6-amino-1-methyl-2,4-dioxo-3-prop-2-ynyl-5-pyrimidinyl)amino]-oxomethyl]-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(6-amino-1-methyl-2,4-dioxo-3-prop-2-ynylpyrimidin-5-yl)carbamoyl]naphthalene-2-carboxylate Traditional Name: 6-[(6-amino-2,4-diketo-1-methyl-3-propargyl-pyrimidin-5-yl)carbamoyl]naphthalene-2-carboxylic acid benzyl ester Formula: C27H22N4O5 MolecularWeight: 482.48738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)CC#C)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)CC#C)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C27H22N4O5/c1-3-13-31-25(33)22(23(28)30(2)27(31)35)29-24(32)20-11-9-19-15-21(12-10-18(19)14-20)26(34)36-16-17-7-5-4-6-8-17/h1,4-12,14-15H,13,16,28H2,2H3,(H,29,32)