N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-N-[(Z)-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

Systemtic Name: N-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-N-[(Z)-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 Openeye Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[(Z)-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 CAS Name: N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[(Z)-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 IUPAC Name: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-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 Traditional Name: N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-[(Z)-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 Formula: C24H34N8O4S2 MolecularWeight: 562.70796

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N8O4S2/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/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)/b21-15-,22-16+