4-azanyl-N-[6-[4-[(3,4-dimethylphenyl)methylamino]-2-oxidanylidene-pyrimidin-1-yl]-4,5-bis(oxidanyl)-2-piperazin-1-ylcarbonyl-oxan-3-yl]-2-[2-(methylamino)ethanoylamino]butanamide

Systemtic Name: 4-azanyl-N-[6-[4-[(3,4-dimethylphenyl)methylamino]-2-oxidanylidene-pyrimidin-1-yl]-4,5-bis(oxidanyl)-2-piperazin-1-ylcarbonyl-oxan-3-yl]-2-[2-(methylamino)ethanoylamino]butanamide Openeye Name: 4-amino-N-[6-[4-[(3,4-dimethylphenyl)methylamino]-2-oxo-pyrimidin-1-yl]-4,5-dihydroxy-2-(piperazine-1-carbonyl)tetrahydropyran-3-yl]-2-[[2-(methylamino)acetyl]amino]butanamide CAS Name: 4-amino-N-[6-[4-[(3,4-dimethylphenyl)methylamino]-2-oxo-1-pyrimidinyl]-4,5-dihydroxy-2-[oxo(1-piperazinyl)methyl]-3-oxanyl]-2-[[2-(methylamino)-1-oxoethyl]amino]butanamide IUPAC Name: 4-amino-N-[6-[4-[(3,4-dimethylphenyl)methylamino]-2-oxopyrimidin-1-yl]-4,5-dihydroxy-2-(piperazine-1-carbonyl)oxan-3-yl]-2-[[2-(methylamino)acetyl]amino]butanamide Traditional Name: 4-amino-N-[6-[4-[(3,4-dimethylbenzyl)amino]-2-keto-pyrimidin-1-yl]-4,5-dihydroxy-2-(piperazine-1-carbonyl)tetrahydropyran-3-yl]-2-(sarcosylamino)butyramide Formula: C30H45N9O7 MolecularWeight: 643.7344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=NC(=O)N(C=C2)C3C(C(C(C(O3)C(=O)N4CCNCC4)NC(=O)C(CCN)NC(=O)CNC)O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=NC(=O)N(C=C2)C3C(C(C(C(O3)C(=O)N4CCNCC4)NC(=O)C(CCN)NC(=O)CNC)O)O)C

InChI

InChI=1S/C30H45N9O7/c1-17-4-5-19(14-18(17)2)15-34-21-7-11-39(30(45)36-21)29-25(42)24(41)23(26(46-29)28(44)38-12-9-33-10-13-38)37-27(43)20(6-8-31)35-22(40)16-32-3/h4-5,7,11,14,20,23-26,29,32-33,41-42H,6,8-10,12-13,15-16,31H2,1-3H3,(H,35,40)(H,37,43)(H,34,36,45)