4-(dimethylamino)-2-ethanoyl-9-[(4-ethyl-1,3-thiazol-2-yl)amino]-6-methyl-3,5,10,11-tetrakis(oxidanyl)-4,4a,5,5a,6,12a-hexahydrotetracene-1,12-dione

Systemtic Name: 4-(dimethylamino)-2-ethanoyl-9-[(4-ethyl-1,3-thiazol-2-yl)amino]-6-methyl-3,5,10,11-tetrakis(oxidanyl)-4,4a,5,5a,6,12a-hexahydrotetracene-1,12-dione Openeye Name: 2-acetyl-4-(dimethylamino)-9-[(4-ethylthiazol-2-yl)amino]-3,5,10,11-tetrahydroxy-6-methyl-4,4a,5,5a,6,12a-hexahydrotetracene-1,12-dione CAS Name: 2-acetyl-4-(dimethylamino)-9-[(4-ethyl-2-thiazolyl)amino]-3,5,10,11-tetrahydroxy-6-methyl-4,4a,5,5a,6,12a-hexahydrotetracene-1,12-dione IUPAC Name: 2-acetyl-4-(dimethylamino)-9-[(4-ethyl-1,3-thiazol-2-yl)amino]-3,5,10,11-tetrahydroxy-6-methyl-4,4a,5,5a,6,12a-hexahydrotetracene-1,12-dione Traditional Name: 2-acetyl-4-(dimethylamino)-9-[(4-ethylthiazol-2-yl)amino]-3,5,10,11-tetrahydroxy-6-methyl-4,4a,5,5a,6,12a-hexahydrotetracene-1,12-quinone Formula: C28H31N3O7S MolecularWeight: 553.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)NC2=C(C3=C(C=C2)C(C4C(C5C(C(=O)C4=C3O)C(=O)C(=C(C5N(C)C)O)C(=O)C)O)C)O

Isomeric SMILES

CCC1=CSC(=N1)NC2=C(C3=C(C=C2)C(C4C(C5C(C(=O)C4=C3O)C(=O)C(=C(C5N(C)C)O)C(=O)C)O)C)O

InChI

InChI=1S/C28H31N3O7S/c1-6-12-9-39-28(29-12)30-14-8-7-13-10(2)15-19(25(36)17(13)22(14)33)26(37)20-18(23(15)34)21(31(4)5)27(38)16(11(3)32)24(20)35/h7-10,15,18,20-21,23,33-34,36,38H,6H2,1-5H3,(H,29,30)