(2Z)-9-[[4-(2-adamantyl)-1,3-thiazol-2-yl]amino]-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Systemtic Name: (2Z)-9-[[4-(2-adamantyl)-1,3-thiazol-2-yl]amino]-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,10,11,12a-tetrakis(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2Z)-9-[[4-(2-adamantyl)thiazol-2-yl]amino]-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2Z)-9-[[4-(2-adamantyl)-2-thiazolyl]amino]-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2Z)-9-[[4-(2-adamantyl)-1,3-thiazol-2-yl]amino]-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Traditional Name: (2Z)-9-[[4-(2-adamantyl)thiazol-2-yl]amino]-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C35H40N4O8S MolecularWeight: 676.7791

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC(=C4O)NC5=NC(=CS5)C6C7CC8CC(C7)CC6C8)O)O)N(C)C)O

Isomeric SMILES

CC1C2C(C3C(C(=O)/C(=C(\N)/O)/C(=O)C3(C(=O)C2=C(C4=C1C=CC(=C4O)NC5=NC(=CS5)C6C7CC8CC(C7)CC6C8)O)O)N(C)C)O

InChI

InChI=1S/C35H40N4O8S/c1-12-17-4-5-18(37-34-38-19(11-48-34)21-15-7-13-6-14(9-15)10-16(21)8-13)27(40)22(17)28(41)23-20(12)29(42)25-26(39(2)3)30(43)24(33(36)46)32(45)35(25,47)31(23)44/h4-5,11-16,20-21,25-26,29,40-42,46-47H,6-10,36H2,1-3H3,(H,37,38)/b33-24-