N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-N-[(E)-3-[[(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-oxidanyl-pent-2-en-3-yl]disulfanyl]-5-oxidanyl-pent-2-en-2-yl]methanamide; 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid

Systemtic Name: N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-N-[(E)-3-[[(E)-2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl-methanoyl-amino]-5-oxidanyl-pent-2-en-3-yl]disulfanyl]-5-oxidanyl-pent-2-en-2-yl]methanamide; 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid Openeye Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[(E)-2-[[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl]-4-hydroxy-1-methyl-but-1-enyl]formamide; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid CAS Name: N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[(E)-3-[[(E)-2-[(4-amino-2-methyl-5-pyrimidinyl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid IUPAC Name: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-3-[[(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide; 2,4-dioxo-1H-pyrimidine-6-carboxylic acid Traditional Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[(E)-2-[[(E)-2-[(4-amino-2-methyl-pyrimidin-5-yl)methyl-formyl-amino]-1-(2-hydroxyethyl)prop-1-enyl]disulfanyl]-4-hydroxy-1-methyl-but-1-enyl]formamide; orotic acid Formula: C29H38N10O8S2 MolecularWeight: 718.80422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCO)C.C1=C(NC(=O)NC1=O)C(=O)O

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN(/C(=C(/SS/C(=C(/N(C=O)CC2=CN=C(N=C2N)C)\C)/CCO)\CCO)/C)C=O.C1=C(NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C24H34N8O4S2.C5H4N2O4/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26;8-3-1-2(4(9)10)6-5(11)7-3/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30);1H,(H,9,10)(H2,6,7,8,11)/b21-15+,22-16+;